| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:58 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N5O4 |
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| Molecular Mass | 241.0811 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(O)C(C(=O)O)N2 |
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| InChI Key | XCFMSAFPMNJNGL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrimidodiazepines |
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| Subclass | pyrimidodiazepines |
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| Direct Parent | pyrimidodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alcoholssecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidinebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrimidodiazepinealcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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